CID 2816721

Isothiazolo(5,4-b)pyridin-3(2h)-one, 2-benzoyl-4,6-dimethyl-

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C15H12N2O2S/c1-9-8-10(2)16-13-12(9)15(19)17(20-13)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
ZXZJYJODWMTSCV-UHFFFAOYSA-N
Compound name
2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.06195 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 162.5
[M+Na]+ 307.05117 175.5
[M-H]- 283.05467 169.5
[M+NH4]+ 302.09577 179.9
[M+K]+ 323.02511 170.1
[M+H-H2O]+ 267.05921 155.3
[M+HCOO]- 329.06015 180.9
[M+CH3COO]- 343.07580 175.9
[M+Na-2H]- 305.03662 164.5
[M]+ 284.06140 168.9
[M]- 284.06250 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe